SCHEMBL2322925

SCHEMBL2322925

CS(=O)(=O)NC(=O)C1CCN(CC2=Cc3c(F)cc(OCc4ccc(C(F)(F)F)cc4C(F)(F)F)cc3OC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.37
SCN1A P35498 2/20 0.37
SCN5A Q14524 2/20 0.37
SCN4A P35499 1/20 0.37
SCN7A Q01118 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
S1PR1 P21453 3/20 0.36
S1PR5 Q9H228 3/20 0.36
PRKX P51817 1/20 0.36
IKBKE Q14164 1/20 0.36
EPHX2 P34913 2/20 0.34
MAPK1 P28482 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34
SRD5A1 P18405 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2385343 0.99 SCN9A (0.37) SCN9ASCN1ASCN5ASCN4ASCN7A
SCHEMBL13349965 0.95 S1PR1 (0.37) SCN9ASCN1ASCN5ASCN4ASCN7A
SCHEMBL10088676 0.94 EPHX2 (0.34) SCN9ASCN1ASCN5ASCN4ASCN7A
SCHEMBL2327673 0.89 S1PR1 (0.44) S1PR1S1PR5PRKXIKBKEEPHX2
SCHEMBL10088972 0.85 S1PR1 (0.43) S1PR1S1PR5PRKXIKBKEMAPK1
SCHEMBL10089001 0.85 S1PR5 (0.51) S1PR1S1PR5PRKXIKBKES1PR4
SCHEMBL10088999 0.84 FFAR1 (0.39) S1PR1S1PR5PRKXIKBKEFFAR1
SCHEMBL10088719 0.83 S1PR1 (0.43) S1PR1S1PR5PRKXIKBKEMAPK1
SCHEMBL10088733 0.81 S1PR5 (0.48) S1PR1S1PR5PRKXIKBKES1PR4
SCHEMBL10088805 0.80 S1PR1 (0.45) S1PR1S1PR5PRKXIKBKEMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 SCN9A 4195/4885SCN1A 3036/4885SCN5A 4266/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 SCN9A 4145/4885SCN1A 2635/4885SCN5A 4255/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.